5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide

C23H14Cl3F3N2O4S3 — CID 142178430

IUPAC5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccc(Cl)c2Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H14Cl3F3N2O4S3/c24-17-6-2-5-16(22(17)26)13-7-8-18(30-38(34,35)21-10-9-20(25)36-21)19(11-13)31-37(32,33)15-4-1-3-14(12-15)23(27,28)29/h1-12,30-31H
InChIKeyPHOVNQSSZNESEV-UHFFFAOYSA-N
MW641.93 g/mol
LogP8.00
Rot. Bonds7

About 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 142178430) has the molecular formula C23H14Cl3F3N2O4S3 and a molecular weight of 641.93 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID142178430
Molecular FormulaC23H14Cl3F3N2O4S3
Molecular Weight641.93 g/mol
Exact Mass639.91
IUPAC Name5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccc(Cl)c2Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H14Cl3F3N2O4S3/c24-17-6-2-5-16(22(17)26)13-7-8-18(30-38(34,35)21-10-9-20(25)36-21)19(11-13)31-37(32,33)15-4-1-3-14(12-15)23(27,28)29/h1-12,30-31H
InChIKeyPHOVNQSSZNESEV-UHFFFAOYSA-N
XLogP8.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.93
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142178347
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
5-chloro-N-[4-(5-chlorothiophen-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 70131358
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178445
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide
CID 70132540
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-[2-[(3,4,5-trichloroanilino)methyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 171342349

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 142178430) is 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(-c2cccc(Cl)c2Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is PHOVNQSSZNESEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3F3N2O4S3/c24-17-6-2-5-16(22(17)26)13-7-8-18(30-38(34,35)21-10-9-20(25)36-21)19(11-13)31-37(32,33)15-4-1-3-14(12-15)23(27,28)29/h1-12,30-31H.
What are the key properties of 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 641.93 g/mol, XLogP of 8.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 142178430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).